Geometry & MOs

Info

ID:	160680
PubChem CID:	57389425
Reduced:	NO4C6H11 (2)
Stoich.:	AB4C6D11 (2)
Weight, g/mol:	508.227454
ΔH_f, kcal/mol:	-377.19
Dipole, Da:	3.73
IP(EA), eV:	-9.8(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[4-[5-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]benzamide

Drug info:

PubChemData

Smile

CC(C(C(=O)O)N)OC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C

DOS

IR

Vibrations